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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClNO4S/c21-20-13-5-1-4-8-16(13)27-17(20)11-26-19(24)9-10-22-14-6-2-3-7-15(14)25-12-18(22)23/h1-8H,9-12H2