(3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H14ClNO3S2 MolecularWeight: 403.90236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)COC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H14ClNO3S2/c20-18-11-5-1-3-7-13(11)25-16(18)10-24-17(22)9-15-19(23)21-12-6-2-4-8-14(12)26-15/h1-8,15H,9-10H2,(H,21,23)/t15-/m1/s1