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

Systemtic Name: ethyl 5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-phenoxyphenyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O3S2 MolecularWeight: 488.62106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S2/c1-3-31-26(30)24-23(19-10-6-4-7-11-19)18(2)34-25(24)29-27(33)28-20-14-16-22(17-15-20)32-21-12-8-5-9-13-21/h4-17H,3H2,1-2H3,(H2,28,29,33)