1-acetamidoethyl 2-[1,4-dimethyl-5-(1-methylsulfanylpyrrol-2-yl)carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: 1-acetamidoethyl 2-[1,4-dimethyl-5-(1-methylsulfanylpyrrol-2-yl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: 1-acetamidoethyl 2-[1,4-dimethyl-5-(1-methylsulfanylpyrrole-2-carbonyl)pyrrol-2-yl]acetate CAS Name: 2-[1,4-dimethyl-5-[[1-(methylthio)-2-pyrrolyl]-oxomethyl]-2-pyrrolyl]acetic acid 1-acetamidoethyl ester IUPAC Name: 1-acetamidoethyl 2-[1,4-dimethyl-5-(1-methylsulfanylpyrrole-2-carbonyl)pyrrol-2-yl]acetate Traditional Name: 2-[1,4-dimethyl-5-[1-(methylthio)pyrrole-2-carbonyl]pyrrol-2-yl]acetic acid 1-acetamidoethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CC(=O)OC(C)NC(=O)C)C)C(=O)C2=CC=CN2SC

Isomeric SMILES

CC1=C(N(C(=C1)CC(=O)OC(C)NC(=O)C)C)C(=O)C2=CC=CN2SC

InChI

InChI=1S/C18H23N3O4S/c1-11-9-14(10-16(23)25-13(3)19-12(2)22)20(4)17(11)18(24)15-7-6-8-21(15)26-5/h6-9,13H,10H2,1-5H3,(H,19,22)