2-[[4-[(2,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]ethanoate

Systemtic Name: 2-[[4-[(2,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]ethanoate Openeye Name: 2-[[4-[(2,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methoxy]acetate CAS Name: 2-[[4-[(2,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]acetate IUPAC Name: 2-[[4-[(2,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methoxy]acetate Traditional Name: 2-[[4-[(2,4-dichlorobenzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methoxy]acetate Formula: C20H18Cl2N3O3S- MolecularWeight: 451.34622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)COCC(=O)[O-])NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)COCC(=O)[O-])NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3S/c21-12-6-5-11(14(22)7-12)8-23-19-18-13-3-1-2-4-15(13)29-20(18)25-16(24-19)9-28-10-17(26)27/h5-7H,1-4,8-10H2,(H,26,27)(H,23,24,25)/p-1