(2S)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]-2-phenylacetate IUPAC Name: (2S)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]-2-phenyl-acetate Formula: C17H17N2O2S- MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)SC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)S[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H18N2O2S/c1-11-13-9-5-6-10-14(13)19-17(18-11)22-15(16(20)21)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-10H2,1H3,(H,20,21)/p-1/t15-/m0/s1