2-[3-(4-methoxyphenyl)propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: 2-[3-(4-methoxyphenyl)propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: 2-[3-(4-methoxyphenyl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-[3-(4-methoxyphenyl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate IUPAC Name: 2-[3-(4-methoxyphenyl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-[3-(4-methoxyphenyl)propyl]-4H-1,4-benzothiazine-6-carboxylate Formula: C19H18NO4S- MolecularWeight: 356.41552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2C(=O)NC3=C(S2)C=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2C(=O)NC3=C(S2)C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H19NO4S/c1-24-14-8-5-12(6-9-14)3-2-4-17-18(21)20-15-11-13(19(22)23)7-10-16(15)25-17/h5-11,17H,2-4H2,1H3,(H,20,21)(H,22,23)/p-1