methyl 2-(ethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(ethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(ethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(ethylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(ethylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O2S2/c1-4-17-16(21)18-14-13(15(19)20-3)12(10(2)22-14)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H2,17,18,21)