methyl 2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C19H18N2O4S/c1-25-19(24)15(9-12-5-3-2-4-6-12)21-18(23)13-7-8-16-14(10-13)20-17(22)11-26-16/h2-8,10,15H,9,11H2,1H3,(H,20,22)(H,21,23)