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

Systemtic Name: methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H14ClN3O2S3 MolecularWeight: 423.95996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C17H14ClN3O2S3/c1-23-15(22)12-8-4-2-6-10(8)25-14(12)20-16(24)21-17-19-13-9(18)5-3-7-11(13)26-17/h3,5,7H,2,4,6H2,1H3,(H2,19,20,21,24)