N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-4-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-4-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-4-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-pyrrol-1-yl-thiophene-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3=CSC=C3N4C=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3=CSC=C3N4C=CC=C4)O)C

InChI

InChI=1S/C21H19N3O3S/c1-21(2)19(25)18(14-9-13(10-22)5-6-17(14)27-21)23-20(26)15-11-28-12-16(15)24-7-3-4-8-24/h3-9,11-12,18-19,25H,1-2H3,(H,23,26)