methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(8-quinolinyloxymethyl)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-(quinolin-8-yloxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C30H27N3O5S MolecularWeight: 541.61748

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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=CC=CC4=C3N=CC=C4)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)COC3=CC=CC4=C3N=CC=C4)/C#N)C(=O)OC

InChI

InChI=1S/C30H27N3O5S/c1-18(2)26-15-23(30(35)37-4)29(39-26)33-28(34)21(16-31)13-19-10-11-24(36-3)22(14-19)17-38-25-9-5-7-20-8-6-12-32-27(20)25/h5-15,18H,17H2,1-4H3,(H,33,34)/b21-13+