N-[[5-azanyl-4-cyano-3-(4-hydroxyphenyl)-2,3-dihydrothiophen-2-yl]carbonyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[[5-azanyl-4-cyano-3-(4-hydroxyphenyl)-2,3-dihydrothiophen-2-yl]carbonyl]pyrrolidine-1-carboxamide Openeye Name: N-[5-amino-4-cyano-3-(4-hydroxyphenyl)-2,3-dihydrothiophene-2-carbonyl]pyrrolidine-1-carboxamide CAS Name: N-[[5-amino-4-cyano-3-(4-hydroxyphenyl)-2,3-dihydrothiophen-2-yl]-oxomethyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[5-amino-4-cyano-3-(4-hydroxyphenyl)-2,3-dihydrothiophene-2-carbonyl]pyrrolidine-1-carboxamide Traditional Name: N-[5-amino-4-cyano-3-(4-hydroxyphenyl)-2,3-dihydrothiophene-2-carbonyl]pyrrolidine-1-carboxamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC=C(C=C3)O

Isomeric SMILES

C1CCN(C1)C(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H18N4O3S/c18-9-12-13(10-3-5-11(22)6-4-10)14(25-15(12)19)16(23)20-17(24)21-7-1-2-8-21/h3-6,13-14,22H,1-2,7-8,19H2,(H,20,23,24)