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

Systemtic Name: methyl 5-methyl-2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(2-methyl-3-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S2/c1-8-7-10(14(19)22-3)13(24-8)17-15(23)16-11-5-4-6-12(9(11)2)18(20)21/h4-7H,1-3H3,(H2,16,17,23)