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

Systemtic Name: ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18ClN3O4S2 MolecularWeight: 475.96832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN3O4S2/c1-3-29-20(26)18-17(13-7-5-4-6-8-13)12(2)31-19(18)24-21(30)23-16-11-14(25(27)28)9-10-15(16)22/h4-11H,3H2,1-2H3,(H2,23,24,30)