methyl 6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[(1-oxo-4-phenoxybutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(4-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-14-10-11-16-17(13-14)27-20(19(16)21(24)25-2)22-18(23)9-6-12-26-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,22,23)