6-methyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 6-methyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 6-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 6-methyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 6-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-10-5-6-12-15(7-10)28-19(16(12)20(23)24)21-18(22)11-8-13(25-2)17(27-4)14(9-11)26-3/h8-10H,5-7H2,1-4H3,(H,21,22)(H,23,24)