ethyl 2-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H28BrNO5S MolecularWeight: 570.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H28BrNO5S/c1-3-34-28(32)25-20-11-7-8-12-23(20)36-27(25)30-24(31)14-13-19-15-21(29)26(22(16-19)33-2)35-17-18-9-5-4-6-10-18/h4-6,9-10,13-16H,3,7-8,11-12,17H2,1-2H3,(H,30,31)