[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[ethyl(1-naphthyl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[ethyl(1-naphthalenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[ethyl(1-naphthyl)amino]-2-keto-ethyl] ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N2O3S/c1-2-27(21-13-7-10-18-9-3-4-11-19(18)21)24(28)17-30-25(29)16-8-15-23-26-20-12-5-6-14-22(20)31-23/h3-7,9-14H,2,8,15-17H2,1H3