N-ethylethanamine; ethyl 5-thiophen-2-ylcarbonyl-2,3-dihydro-1H-indene-2-carboxylate

Systemtic Name: N-ethylethanamine; ethyl 5-thiophen-2-ylcarbonyl-2,3-dihydro-1H-indene-2-carboxylate Openeye Name: N-ethylethanamine; ethyl 5-(thiophene-2-carbonyl)indane-2-carboxylate CAS Name: N-ethylethanamine; 5-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid ethyl ester IUPAC Name: N-ethylethanamine; ethyl 5-(thiophene-2-carbonyl)-2,3-dihydro-1H-indene-2-carboxylate Traditional Name: diethylamine; 5-(2-thenoyl)indane-2-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCOC(=O)C1CC2=C(C1)C=C(C=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CCNCC.CCOC(=O)C1CC2=C(C1)C=C(C=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H16O3S.C4H11N/c1-2-20-17(19)14-8-11-5-6-12(9-13(11)10-14)16(18)15-4-3-7-21-15;1-3-5-4-2/h3-7,9,14H,2,8,10H2,1H3;5H,3-4H2,1-2H3