methyl 3-[2-methanethioyl-4-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrol-3-yl]propanoate

Systemtic Name: methyl 3-[2-methanethioyl-4-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[2-methanethioyl-4-(2-methoxy-2-oxo-ethyl)-5-methyl-1H-pyrrol-3-yl]propanoate CAS Name: 3-[2-methanethioyl-4-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-methanethioyl-4-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrol-3-yl]propanoate Traditional Name: 3-[4-(2-keto-2-methoxy-ethyl)-5-methyl-2-thioformyl-1H-pyrrol-3-yl]propionic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=S)CCC(=O)OC)CC(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1)C=S)CCC(=O)OC)CC(=O)OC

InChI

InChI=1S/C13H17NO4S/c1-8-10(6-13(16)18-3)9(11(7-19)14-8)4-5-12(15)17-2/h7,14H,4-6H2,1-3H3