[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C20H20N2O3S2/c1-11-7-8-14-16(9-11)27-20(21-14)22-18(23)12(2)25-19(24)17-10-13-5-3-4-6-15(13)26-17/h7-10,12H,3-6H2,1-2H3,(H,21,22,23)