ethyl 4-(3-methoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3-methoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-methoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-(3-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3-methoxyphenyl)-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S2/c1-3-26-20(24)18-17(14-8-7-11-16(12-14)25-2)13-28-19(18)23-21(27)22-15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H2,22,23,27)