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

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-12-4-7-14-17(10-12)28-21(19(14)20(22)25)23-18(24)9-6-13-5-8-15(26-2)16(11-13)27-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H2,22,25)(H,23,24)/b9-6+