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

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanylnaphthalene-2-carboxylate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-aminonaphthalene-2-carboxylate CAS Name: 3-amino-2-naphthalenecarboxylic 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] 3-aminonaphthalene-2-carboxylate Traditional Name: 3-aminonaphthalene-2-carboxylic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3N

InChI

InChI=1S/C21H17N3O3S/c1-12-6-7-17-18(8-12)28-21(23-17)24-19(25)11-27-20(26)15-9-13-4-2-3-5-14(13)10-16(15)22/h2-10H,11,22H2,1H3,(H,23,24,25)