2-[3-(1,3-benzothiazol-2-ylmethyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)indol-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)indol-1-yl]acetic acid Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N2O2S/c21-18(22)11-20-10-12(13-5-1-3-7-15(13)20)9-17-19-14-6-2-4-8-16(14)23-17/h1-8,10H,9,11H2,(H,21,22)