methyl 3-(4-methoxyphenyl)-2-[3-oxidanylidene-7-[(phenylmethyl)amino]-1,4-benzothiazin-4-yl]propanoate

Systemtic Name: methyl 3-(4-methoxyphenyl)-2-[3-oxidanylidene-7-[(phenylmethyl)amino]-1,4-benzothiazin-4-yl]propanoate Openeye Name: methyl 2-[7-(benzylamino)-3-oxo-1,4-benzothiazin-4-yl]-3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)-2-[3-oxo-7-[(phenylmethyl)amino]-1,4-benzothiazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[7-(benzylamino)-3-oxo-1,4-benzothiazin-4-yl]-3-(4-methoxyphenyl)propanoate Traditional Name: 2-[7-(benzylamino)-3-keto-1,4-benzothiazin-4-yl]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)N2C(=O)CSC3=C2C=CC(=C3)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OC)N2C(=O)CSC3=C2C=CC(=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4S/c1-31-21-11-8-18(9-12-21)14-23(26(30)32-2)28-22-13-10-20(15-24(22)33-17-25(28)29)27-16-19-6-4-3-5-7-19/h3-13,15,23,27H,14,16-17H2,1-2H3