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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(8-quinolinyloxymethyl)phenyl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H23N3O5S MolecularWeight: 513.56432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC)COC3=CC=CC4=C3N=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O5S/c1-3-35-28(33)22-11-13-37-27(22)31-26(32)20(16-29)14-18-9-10-23(34-2)21(15-18)17-36-24-8-4-6-19-7-5-12-30-25(19)24/h4-15H,3,17H2,1-2H3,(H,31,32)/b20-14+