methyl 4-chloranyl-2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[oxo-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]benzoic acid methyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C22H22ClN3O3S/c1-29-21(27)16-9-8-14(23)12-18(16)25-22(28)24-13-17-15-6-2-3-7-19(15)30-20(17)26-10-4-5-11-26/h4-5,8-12H,2-3,6-7,13H2,1H3,(H2,24,25,28)