[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] propanoate

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] propanoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] propanoate CAS Name: propanoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] propanoate Traditional Name: propionic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H14N2O4S/c1-2-15(19)22-12-9-7-11(8-10-12)17-16-13-5-3-4-6-14(13)23(20,21)18-16/h3-10H,2H2,1H3,(H,17,18)