ethyl 2-[2-[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)C2=C(N(C(=C2)C)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)C2=C(N(C(=C2)C)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O4S2/c1-4-29-20(27)11-17-12-30-22(23-17)31-13-19(26)18-10-14(2)25(15(18)3)24-21(28)16-8-6-5-7-9-16/h5-10,12H,4,11,13H2,1-3H3,(H,24,28)