[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C20H20N2O4S/c1-3-10-25-15-7-5-14(6-8-15)19(24)26-12-18(23)22-20-21-16-9-4-13(2)11-17(16)27-20/h4-9,11H,3,10,12H2,1-2H3,(H,21,22,23)