[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-3-12-26-16-10-8-15(9-11-16)21(25)27-14-20(24)23(2)13-19-22-17-6-4-5-7-18(17)28-19/h4-11H,3,12-14H2,1-2H3