3-(4-azanylbutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-methyl-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-methyl-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-methyl-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-methyl-4-indolecarboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-methylindole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-methyl-indole-4-carboxylic acid Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=C(C(=C3NC4=CC=CC=C4S3)N=C12)CCCCN)C(=O)O

Isomeric SMILES

CC1=CC=C(C2=C(C(=C3NC4=CC=CC=C4S3)N=C12)CCCCN)C(=O)O

InChI

InChI=1S/C21H21N3O2S/c1-12-9-10-14(21(25)26)17-13(6-4-5-11-22)19(24-18(12)17)20-23-15-7-2-3-8-16(15)27-20/h2-3,7-10,23H,4-6,11,22H2,1H3,(H,25,26)