ethyl (Z)-3-[5-azanyl-4-cyano-3-(phenylsulfonyl)thiophen-2-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[5-azanyl-4-cyano-3-(phenylsulfonyl)thiophen-2-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-[5-amino-3-(benzenesulfonyl)-4-cyano-2-thienyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[5-amino-3-(benzenesulfonyl)-4-cyano-2-thiophenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[5-amino-3-(benzenesulfonyl)-4-cyanothiophen-2-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-(5-amino-3-besyl-4-cyano-2-thienyl)-2-cyano-acrylic acid ethyl ester Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C(=C(S1)N)C#N)S(=O)(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=C(C(=C(S1)N)C#N)S(=O)(=O)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H13N3O4S2/c1-2-24-17(21)11(9-18)8-14-15(13(10-19)16(20)25-14)26(22,23)12-6-4-3-5-7-12/h3-8H,2,20H2,1H3/b11-8-