methyl 3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylcarbonylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylcarbonylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)-3-(2-thienyl)propanoate CAS Name: 3-[[oxo(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4

InChI

InChI=1S/C21H22N2O3S/c1-26-20(24)12-18(19-7-4-10-27-19)23-21(25)13-8-9-17-15(11-13)14-5-2-3-6-16(14)22-17/h4,7-11,18,22H,2-3,5-6,12H2,1H3,(H,23,25)