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

Systemtic Name: methyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S2/c1-8-6-10(14(19)23-3)13(25-8)17-15(24)16-11-5-4-9(22-2)7-12(11)18(20)21/h4-7H,1-3H3,(H2,16,17,24)