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

Systemtic Name: methyl 2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]benzoate Openeye Name: methyl 2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]benzoate CAS Name: 2-[[oxo-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]benzoate Traditional Name: 2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-28-21(26)16-9-2-4-10-18(16)24-22(27)23-14-17-15-8-3-5-11-19(15)29-20(17)25-12-6-7-13-25/h2,4,6-7,9-10,12-13H,3,5,8,11,14H2,1H3,(H2,23,24,27)