[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C28H20N2O5S MolecularWeight: 496.5338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H20N2O5S/c1-16(26(31)29-18-12-13-22-23(14-18)34-15-33-22)35-28(32)20-9-5-7-17-6-4-8-19(25(17)20)27-30-21-10-2-3-11-24(21)36-27/h2-14,16H,15H2,1H3,(H,29,31)