4-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]butanoic acid

Systemtic Name: 4-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]butanoic acid Openeye Name: 4-[1-(thiazol-4-ylmethyl)indol-3-yl]butanoic acid CAS Name: 4-[1-(4-thiazolylmethyl)-3-indolyl]butanoic acid IUPAC Name: 4-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]butanoic acid Traditional Name: 4-[1-(thiazol-4-ylmethyl)indol-3-yl]butyric acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CSC=N3)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CSC=N3)CCCC(=O)O

InChI

InChI=1S/C16H16N2O2S/c19-16(20)7-3-4-12-8-18(9-13-10-21-11-17-13)15-6-2-1-5-14(12)15/h1-2,5-6,8,10-11H,3-4,7,9H2,(H,19,20)