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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 3-methylbenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)N(C)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)N(C)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H18N2O4S/c1-15-6-5-7-16(14-15)22(25)28-18-12-10-17(11-13-18)24(2)21-19-8-3-4-9-20(19)29(26,27)23-21/h3-14H,1-2H3