2-[3-(1,2-benzothiazol-3-yl)-4-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,2-benzothiazol-3-yl)-4-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(1,2-benzothiazol-3-yl)-4-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-(1,2-benzothiazol-3-yl)-4-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(1,2-benzothiazol-3-yl)-4-methylindol-1-yl]acetic acid Traditional Name: 2-[3-(1,2-benzothiazol-3-yl)-4-methyl-indol-1-yl]acetic acid Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=C2C3=NSC4=CC=CC=C43)CC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2C3=NSC4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C18H14N2O2S/c1-11-5-4-7-14-17(11)13(9-20(14)10-16(21)22)18-12-6-2-3-8-15(12)23-19-18/h2-9H,10H2,1H3,(H,21,22)