methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(2-naphthyloxymethyl)phenyl]prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(2-naphthalenyloxymethyl)phenyl]-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(2-naphthoxymethyl)phenyl]acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C31H28N2O5S MolecularWeight: 540.62942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OC)COC3=CC4=CC=CC=C4C=C3)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)COC3=CC4=CC=CC=C4C=C3)/C#N)C(=O)OC

InChI

InChI=1S/C31H28N2O5S/c1-19(2)28-16-26(31(35)37-4)30(39-28)33-29(34)23(17-32)13-20-9-12-27(36-3)24(14-20)18-38-25-11-10-21-7-5-6-8-22(21)15-25/h5-16,19H,18H2,1-4H3,(H,33,34)/b23-13+