(E)-3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-pent-2-en-2-olate

Systemtic Name: (E)-3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-pent-2-en-2-olate Openeye Name: (E)-3-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-pent-2-en-2-olate CAS Name: (E)-3-[[2-(4-butylanilino)-2-oxoethyl]thio]-4-oxo-2-penten-2-olate IUPAC Name: (E)-3-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-4-oxopent-2-en-2-olate Traditional Name: (E)-3-[[2-(4-butylanilino)-2-keto-ethyl]thio]-4-keto-pent-2-en-2-olate Formula: C17H22NO3S- MolecularWeight: 320.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC(=C(C)[O-])C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CS/C(=C(\C)/[O-])/C(=O)C

InChI

InChI=1S/C17H23NO3S/c1-4-5-6-14-7-9-15(10-8-14)18-16(21)11-22-17(12(2)19)13(3)20/h7-10,19H,4-6,11H2,1-3H3,(H,18,21)/p-1/b17-12+