[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C24H21NO4S/c1-15-18-8-5-6-10-22(18)30-24(15)21(27)14-29-23(28)13-20-19-9-4-3-7-17(19)11-12-25(20)16(2)26/h3-12,20H,13-14H2,1-2H3/t20-/m0/s1