methyl 2-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate Openeye Name: methyl 2-[[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]carbamoyl]benzoate CAS Name: 2-[[[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate Traditional Name: 2-[[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]carbamoyl]benzoic acid methyl ester Formula: C23H21N3O4S2 MolecularWeight: 467.56054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NC2=C(N=C(S2)SCC(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NC2=C(N=C(S2)SCC(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S2/c1-30-22(29)17-10-6-5-9-16(17)20(28)26-21-19(14-7-3-2-4-8-14)25-23(32-21)31-13-18(27)24-15-11-12-15/h2-10,15H,11-13H2,1H3,(H,24,27)(H,26,28)