2-[[5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]carbamoyl]benzoic acid Openeye Name: 2-[[5-ethyl-3-(1-naphthylmethyl)thiazol-2-ylidene]carbamoyl]benzoic acid CAS Name: 2-[[[5-ethyl-3-(1-naphthalenylmethyl)-2-thiazolylidene]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]carbamoyl]benzoic acid Traditional Name: 2-[[5-ethyl-3-(1-naphthylmethyl)-4-thiazolin-2-ylidene]carbamoyl]benzoic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=NC(=O)C2=CC=CC=C2C(=O)O)S1)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC1=CN(C(=NC(=O)C2=CC=CC=C2C(=O)O)S1)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H20N2O3S/c1-2-18-15-26(14-17-10-7-9-16-8-3-4-11-19(16)17)24(30-18)25-22(27)20-12-5-6-13-21(20)23(28)29/h3-13,15H,2,14H2,1H3,(H,28,29)