2-[3-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: 2-[3-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: 2-[3-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[3-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-4,5-dimethyl-3-thiophenecarboxylate IUPAC Name: 2-[3-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-3-thenoate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C(=O)[O-])C)C=C(C#N)C(=O)NC

Isomeric SMILES

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C(=O)[O-])C)/C=C(\C#N)/C(=O)NC

InChI

InChI=1S/C18H19N3O3S/c1-9-6-13(7-14(8-19)16(22)20-5)11(3)21(9)17-15(18(23)24)10(2)12(4)25-17/h6-7H,1-5H3,(H,20,22)(H,23,24)/p-1/b14-7+