methyl 2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methyl-3-nitrophenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C17H17N3O4S2/c1-9-11(6-4-7-12(9)20(22)23)18-17(25)19-15-14(16(21)24-2)10-5-3-8-13(10)26-15/h4,6-7H,3,5,8H2,1-2H3,(H2,18,19,25)