[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C25H26N2O3S/c1-25(2)18-9-4-6-11-20(18)27(3)22(25)15-17(28)16-30-24(29)14-8-13-23-26-19-10-5-7-12-21(19)31-23/h4-7,9-12,15H,8,13-14,16H2,1-3H3