phenacyl 3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoate

Systemtic Name: phenacyl 3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoate Openeye Name: phenacyl 3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propanoate CAS Name: 3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propanoate Traditional Name: 3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propionic acid phenacyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NCCC(=O)OCC(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NCCC(=O)OCC(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H22N2O4S/c21-19(25)18-14-8-4-5-9-16(14)27-20(18)22-11-10-17(24)26-12-15(23)13-6-2-1-3-7-13/h1-3,6-7,22H,4-5,8-12H2,(H2,21,25)