[6-aminocarbonyl-5-ethyl-7-oxidanyl-8-piperazin-1-yl-2-(2-thiophen-2-ylethyl)naphthalen-1-yl] ethanoate

Systemtic Name: [6-aminocarbonyl-5-ethyl-7-oxidanyl-8-piperazin-1-yl-2-(2-thiophen-2-ylethyl)naphthalen-1-yl] ethanoate Openeye Name: [6-carbamoyl-5-ethyl-7-hydroxy-8-piperazin-1-yl-2-[2-(2-thienyl)ethyl]-1-naphthyl] acetate CAS Name: acetic acid [6-carbamoyl-5-ethyl-7-hydroxy-8-(1-piperazinyl)-2-(2-thiophen-2-ylethyl)-1-naphthalenyl] ester IUPAC Name: [6-carbamoyl-5-ethyl-7-hydroxy-8-piperazin-1-yl-2-(2-thiophen-2-ylethyl)naphthalen-1-yl] acetate Traditional Name: acetic acid [6-carbamoyl-5-ethyl-7-hydroxy-8-piperazino-2-[2-(2-thienyl)ethyl]-1-naphthyl] ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C2=C1C=CC(=C2OC(=O)C)CCC3=CC=CS3)N4CCNCC4)O)C(=O)N

Isomeric SMILES

CCC1=C(C(=C(C2=C1C=CC(=C2OC(=O)C)CCC3=CC=CS3)N4CCNCC4)O)C(=O)N

InChI

InChI=1S/C25H29N3O4S/c1-3-18-19-9-7-16(6-8-17-5-4-14-33-17)24(32-15(2)29)20(19)22(23(30)21(18)25(26)31)28-12-10-27-11-13-28/h4-5,7,9,14,27,30H,3,6,8,10-13H2,1-2H3,(H2,26,31)