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

Systemtic Name: ethyl 5-methyl-2-[(2-phenoxyphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(2-phenoxyphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-phenoxyanilino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-phenoxyphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-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=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC=C3OC4=CC=CC=C4

InChI

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