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

Systemtic Name: 1-acetamidoethyl 2-[1,4-dimethyl-5-(1-methyl-5-methylsulfanyl-pyrrol-2-yl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: 1-acetamidoethyl 2-[1,4-dimethyl-5-(1-methyl-5-methylsulfanyl-pyrrole-2-carbonyl)pyrrol-2-yl]acetate CAS Name: 2-[1,4-dimethyl-5-[[1-methyl-5-(methylthio)-2-pyrrolyl]-oxomethyl]-2-pyrrolyl]acetic acid 1-acetamidoethyl ester IUPAC Name: 1-acetamidoethyl 2-[1,4-dimethyl-5-(1-methyl-5-methylsulfanylpyrrole-2-carbonyl)pyrrol-2-yl]acetate Traditional Name: 2-[1,4-dimethyl-5-[1-methyl-5-(methylthio)pyrrole-2-carbonyl]pyrrol-2-yl]acetic acid 1-acetamidoethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CC(=O)OC(C)NC(=O)C)C)C(=O)C2=CC=C(N2C)SC

Isomeric SMILES

CC1=C(N(C(=C1)CC(=O)OC(C)NC(=O)C)C)C(=O)C2=CC=C(N2C)SC

InChI

InChI=1S/C19H25N3O4S/c1-11-9-14(10-17(24)26-13(3)20-12(2)23)21(4)18(11)19(25)15-7-8-16(27-6)22(15)5/h7-9,13H,10H2,1-6H3,(H,20,23)