methyl 2-[2-[2-[(6-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[2-[(6-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[2-[(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-[(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H20ClN3O4S3 MolecularWeight: 510.0492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4S3/c1-25-13-7-6-11(22)8-15(13)32-21(25)24-17(27)10-30-9-16(26)23-19-18(20(28)29-2)12-4-3-5-14(12)31-19/h6-8H,3-5,9-10H2,1-2H3,(H,23,26)