(4-methoxycarbonylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-methyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-methyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-methyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[2-keto-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]-methyl-ammonium Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)OC)CC(=O)N2C(CSC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)OC)CC(=O)N2[C@@H](CSC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S/c1-27(16-19-12-14-21(15-13-19)26(30)31-2)17-25(29)28-22-10-6-7-11-24(22)32-18-23(28)20-8-4-3-5-9-20/h3-15,23H,16-18H2,1-2H3/p+1/t23-/m0/s1