[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3)C5=CC=CC=C51

InChI

InChI=1S/C27H25N3O3S/c1-2-30-22-10-5-3-8-19(22)20-16-18(14-15-23(20)30)28-25(31)17-33-27(32)13-7-12-26-29-21-9-4-6-11-24(21)34-26/h3-6,8-11,14-16H,2,7,12-13,17H2,1H3,(H,28,31)