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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c1-11-3-6-14-16(9-11)27-20(18(14)19(22)25)23-17(24)8-4-12-10-13(21)5-7-15(12)26-2/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H2,22,25)(H,23,24)/b8-4+