ethyl 2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H19ClN2O3S3 MolecularWeight: 455.01376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C19H19ClN2O3S3/c1-4-12-10(3)27-17(16(12)18(24)25-5-2)22-15(23)9-26-19-21-13-8-11(20)6-7-14(13)28-19/h6-8H,4-5,9H2,1-3H3,(H,22,23)