ethyl 3-methyl-5-(2-naphthalen-1-ylethanoylamino)-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(2-naphthalen-1-ylethanoylamino)-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(1-naphthyl)acetyl]amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(1-naphthyl)acetyl]amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=CC3=CC=CC=C32)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=CC3=CC=CC=C32)SC#N)C

InChI

InChI=1S/C21H18N2O3S2/c1-3-26-21(25)19-13(2)18(27-12-22)20(28-19)23-17(24)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11H2,1-2H3,(H,23,24)