2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]ethanoic acid

Systemtic Name: 2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]ethanoic acid Openeye Name: 2-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]benzothiopheno[2,3-d]pyrimidin-2-yl]methoxy]acetic acid CAS Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]acetic acid IUPAC Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]acetic acid Traditional Name: 2-[[4-[(3-chloro-4-methoxy-benzyl)amino]benzothiopheno[2,3-d]pyrimidin-2-yl]methoxy]acetic acid Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C4=CC=CC=C4SC3=NC(=N2)COCC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C4=CC=CC=C4SC3=NC(=N2)COCC(=O)O)Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-28-15-7-6-12(8-14(15)22)9-23-20-19-13-4-2-3-5-16(13)30-21(19)25-17(24-20)10-29-11-18(26)27/h2-8H,9-11H2,1H3,(H,26,27)(H,23,24,25)