propyl 2-(butan-2-ylcarbamoylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-(butan-2-ylcarbamoylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 6-phenyl-2-(sec-butylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(butan-2-ylamino)-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(butan-2-ylcarbamoylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-phenyl-2-(sec-butylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)NC(C)CC

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)NC(C)CC

InChI

InChI=1S/C23H30N2O3S/c1-4-13-28-22(26)20-18-12-11-17(16-9-7-6-8-10-16)14-19(18)29-21(20)25-23(27)24-15(3)5-2/h6-10,15,17H,4-5,11-14H2,1-3H3,(H2,24,25,27)