2-[6-ethoxycarbonyl-2-[3-(4-methoxyphenyl)propyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-ethoxycarbonyl-2-[3-(4-methoxyphenyl)propyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[6-ethoxycarbonyl-2-[3-(4-methoxyphenyl)propyl]-3-oxo-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[6-ethoxycarbonyl-2-[3-(4-methoxyphenyl)propyl]-3-oxo-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[6-ethoxycarbonyl-2-[3-(4-methoxyphenyl)propyl]-3-oxo-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[6-carbethoxy-3-keto-2-[3-(4-methoxyphenyl)propyl]-1,4-benzothiazin-4-yl]acetic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2CC(=O)O)CCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2CC(=O)O)CCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H25NO6S/c1-3-30-23(28)16-9-12-19-18(13-16)24(14-21(25)26)22(27)20(31-19)6-4-5-15-7-10-17(29-2)11-8-15/h7-13,20H,3-6,14H2,1-2H3,(H,25,26)