2-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-2-phenyl-acetic acid Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)SC(C4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)SC(C4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C18H17N3O2S2/c19-15-13-11-8-4-5-9-12(11)24-16(13)21-18(20-15)25-14(17(22)23)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,22,23)(H2,19,20,21)