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

Systemtic Name: 3-(4-azanylbutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-chloranyl-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-chloro-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-chloro-4-indolecarboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-chloroindole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3H-1,3-benzothiazol-2-ylidene)-7-chloro-indole-4-carboxylic acid Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C(=C4C(=CC=C(C4=N3)Cl)C(=O)O)CCCCN)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C(=C4C(=CC=C(C4=N3)Cl)C(=O)O)CCCCN)S2

InChI

InChI=1S/C20H18ClN3O2S/c21-13-9-8-12(20(25)26)16-11(5-3-4-10-22)17(24-18(13)16)19-23-14-6-1-2-7-15(14)27-19/h1-2,6-9,23H,3-5,10,22H2,(H,25,26)