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

Systemtic Name: methyl 3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]propanoate Openeye Name: methyl 3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]propanoate CAS Name: 3-[[oxo-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylamino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]propanoate Traditional Name: 3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methylcarbamoylamino]propionic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)NCC1=C(SC2=C1CCCC2)N3C=CC=C3

Isomeric SMILES

COC(=O)CCNC(=O)NCC1=C(SC2=C1CCCC2)N3C=CC=C3

InChI

InChI=1S/C18H23N3O3S/c1-24-16(22)8-9-19-18(23)20-12-14-13-6-2-3-7-15(13)25-17(14)21-10-4-5-11-21/h4-5,10-11H,2-3,6-9,12H2,1H3,(H2,19,20,23)