3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: 3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-1H-pyrrole-2-carboxylate IUPAC Name: 3,5-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-[4-(methylthio)phenyl]acryloyl]-1H-pyrrole-2-carboxylate Formula: C17H16NO3S- MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC=C(C=C2)SC)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC=C(C=C2)SC)C)C(=O)[O-]

InChI

InChI=1S/C17H17NO3S/c1-10-15(11(2)18-16(10)17(20)21)14(19)9-6-12-4-7-13(22-3)8-5-12/h4-9,18H,1-3H3,(H,20,21)/p-1/b9-6+