methyl 5-methyl-2-[(3-nitrophenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(3-nitrophenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(3-nitrophenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(3-nitrophenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(3-nitrophenyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4S2/c1-12-16(13-7-4-3-5-8-13)17(19(24)27-2)18(29-12)22-20(28)21-14-9-6-10-15(11-14)23(25)26/h3-11H,1-2H3,(H2,21,22,28)