2-[[(2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[(2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

InChI

InChI=1S/C22H22N4O2S2/c1-12-11-16(14-7-4-3-5-8-14)25-22(24-12)29-13(2)20(28)26-21-18(19(23)27)15-9-6-10-17(15)30-21/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H2,23,27)(H,26,28)/t13-/m0/s1