(3-chloranyl-1-benzothiophen-2-yl)methyl 2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClNO4S/c1-12-20(24)22(14-7-3-4-8-15(14)26-12)10-18(23)25-11-17-19(21)13-6-2-5-9-16(13)27-17/h2-9,12H,10-11H2,1H3