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

Systemtic Name: ethyl 2-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]phenyl]acetate CAS Name: 2-[4-[[oxo-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylamino]methyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]phenyl]acetate Traditional Name: 2-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]phenyl]acetic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C24H27N3O3S/c1-2-30-22(28)15-17-9-11-18(12-10-17)26-24(29)25-16-20-19-7-3-4-8-21(19)31-23(20)27-13-5-6-14-27/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H2,25,26,29)