2-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H27BrN2O4S MolecularWeight: 555.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H27BrN2O4S/c1-16-8-10-19-22(12-16)35-27(24(19)26(29)32)30-23(31)11-9-18-13-20(28)25(21(14-18)33-2)34-15-17-6-4-3-5-7-17/h3-7,9,11,13-14,16H,8,10,12,15H2,1-2H3,(H2,29,32)(H,30,31)/b11-9+