[2-bromanyl-4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-6-methoxy-phenyl] ester Formula: C18H12BrN3O4S MolecularWeight: 446.27458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=C(C=CS2)C#N)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C#N)OC

InChI

InChI=1S/C18H12BrN3O4S/c1-10(23)26-16-14(19)6-11(7-15(16)25-2)5-13(9-21)17(24)22-18-12(8-20)3-4-27-18/h3-7H,1-2H3,(H,22,24)/b13-5+