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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 3-methylbenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16N2O4S/c1-14-5-4-6-15(13-14)21(24)27-17-11-9-16(10-12-17)22-20-18-7-2-3-8-19(18)28(25,26)23-20/h2-13H,1H3,(H,22,23)