[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C20H20N2O5S/c1-3-25-15-10-9-13(11-16(15)26-4-2)19(24)27-12-18(23)22-20-21-14-7-5-6-8-17(14)28-20/h5-11H,3-4,12H2,1-2H3,(H,21,22,23)