phenethyl 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyric acid phenethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)OCCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)OCCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H24N2O4S/c22-20(26)19-15-8-4-5-9-16(15)28-21(19)23-17(24)10-11-18(25)27-13-12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H2,22,26)(H,23,24)