1-(7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl 3-[(3,4-dichlorophenyl)sulfonylamino]benzoate

Systemtic Name: 1-(7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl 3-[(3,4-dichlorophenyl)sulfonylamino]benzoate Openeye Name: 1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)ethyl 3-[(3,4-dichlorophenyl)sulfonylamino]benzoate CAS Name: 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid 1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethyl 3-[(3,4-dichlorophenyl)sulfonylamino]benzoate Traditional Name: 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid 1-(4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C26H23Cl2N3O5S2 MolecularWeight: 592.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)OC(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)OC(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H23Cl2N3O5S2/c1-13-6-8-18-21(10-13)37-25-22(18)24(32)29-23(30-25)14(2)36-26(33)15-4-3-5-16(11-15)31-38(34,35)17-7-9-19(27)20(28)12-17/h3-5,7,9,11-14,31H,6,8,10H2,1-2H3,(H,29,30,32)