methyl 2-[[(E)-2-cyano-3-(4-methoxynaphthalen-1-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-methoxynaphthalen-1-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-methoxy-1-naphthyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-methoxy-1-naphthalenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-methoxynaphthalen-1-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-methoxy-1-naphthyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C21H16N2O4S/c1-26-18-8-7-13(15-5-3-4-6-16(15)18)11-14(12-22)19(24)23-20-17(9-10-28-20)21(25)27-2/h3-11H,1-2H3,(H,23,24)/b14-11+