[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-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-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetic acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H17NO5S/c1-12-13-6-2-5-9-18(13)28-20(12)15(23)11-26-19(24)10-17-21(25)22-14-7-3-4-8-16(14)27-17/h2-9,17H,10-11H2,1H3,(H,22,25)/t17-/m0/s1