methyl 4-[8-(2-acetamidoethyl)-1-[(E)-prop-1-enyl]naphthalen-2-yl]sulfanylbutanoate

Systemtic Name: methyl 4-[8-(2-acetamidoethyl)-1-[(E)-prop-1-enyl]naphthalen-2-yl]sulfanylbutanoate Openeye Name: methyl 4-[[8-(2-acetamidoethyl)-1-[(E)-prop-1-enyl]-2-naphthyl]sulfanyl]butanoate CAS Name: 4-[[8-(2-acetamidoethyl)-1-[(E)-prop-1-enyl]-2-naphthalenyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[8-(2-acetamidoethyl)-1-[(E)-prop-1-enyl]naphthalen-2-yl]sulfanylbutanoate Traditional Name: 4-[[8-(2-acetamidoethyl)-1-[(E)-prop-1-enyl]-2-naphthyl]thio]butyric acid methyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C=CC2=C1C(=CC=C2)CCNC(=O)C)SCCCC(=O)OC

Isomeric SMILES

C/C=C/C1=C(C=CC2=C1C(=CC=C2)CCNC(=O)C)SCCCC(=O)OC

InChI

InChI=1S/C22H27NO3S/c1-4-7-19-20(27-15-6-10-21(25)26-3)12-11-17-8-5-9-18(22(17)19)13-14-23-16(2)24/h4-5,7-9,11-12H,6,10,13-15H2,1-3H3,(H,23,24)/b7-4+