(6S)-6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-methyl-2-[(1-oxo-4-phenoxybutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C20H23NO4S/c1-13-9-10-15-16(12-13)26-19(18(15)20(23)24)21-17(22)8-5-11-25-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1