2-[ethanoyl-[(E)-4-oxidanylidene-4-phenylazanyl-but-2-en-2-yl]amino]ethanesulfinic acid

Systemtic Name: 2-[ethanoyl-[(E)-4-oxidanylidene-4-phenylazanyl-but-2-en-2-yl]amino]ethanesulfinic acid Openeye Name: 2-[acetyl-[(E)-3-anilino-1-methyl-3-oxo-prop-1-enyl]amino]ethanesulfinic acid CAS Name: 2-[acetyl-[(E)-4-anilino-4-oxobut-2-en-2-yl]amino]ethanesulfinic acid IUPAC Name: 2-[acetyl-[(E)-4-anilino-4-oxobut-2-en-2-yl]amino]ethanesulfinic acid Traditional Name: 2-[acetyl-[(E)-3-anilino-3-keto-1-methyl-prop-1-enyl]amino]ethanesulfinic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1)N(CCS(=O)O)C(=O)C

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1)/N(CCS(=O)O)C(=O)C

InChI

InChI=1S/C14H18N2O4S/c1-11(16(12(2)17)8-9-21(19)20)10-14(18)15-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,15,18)(H,19,20)/b11-10+