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

Systemtic Name: methyl 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]propanoate Openeye Name: methyl 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]propanoate CAS Name: 3-[[oxo-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethylamino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]propanoate Traditional Name: 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]propionic acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NCCC(=O)OC

Isomeric SMILES

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NCCC(=O)OC

InChI

InChI=1S/C19H25N3O3S/c1-13(21-19(24)20-10-9-16(23)25-2)17-14-7-3-4-8-15(14)26-18(17)22-11-5-6-12-22/h5-6,11-13H,3-4,7-10H2,1-2H3,(H2,20,21,24)