methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H19N3O2S3 MolecularWeight: 417.56806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C19H19N3O2S3/c1-9-7-12-14(8-10(9)2)27-19(20-12)22-18(25)21-16-15(17(23)24-3)11-5-4-6-13(11)26-16/h7-8H,4-6H2,1-3H3,(H2,20,21,22,25)