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

Systemtic Name: ethyl 2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-2-29-22(27)17-10-3-5-11-19(17)25-23(28)24-15-18-16-9-4-6-12-20(16)30-21(18)26-13-7-8-14-26/h3,5,7-8,10-11,13-14H,2,4,6,9,12,15H2,1H3,(H2,24,25,28)