methyl 2-benzamido-4-oxidanylidene-4-[8-(3-thiophen-3-ylprop-2-enoyl)-3,8-diazaspiro[4.5]decan-3-yl]butanoate

Systemtic Name: methyl 2-benzamido-4-oxidanylidene-4-[8-(3-thiophen-3-ylprop-2-enoyl)-3,8-diazaspiro[4.5]decan-3-yl]butanoate Openeye Name: methyl 2-benzamido-4-oxo-4-[8-[3-(3-thienyl)prop-2-enoyl]-3,8-diazaspiro[4.5]decan-3-yl]butanoate CAS Name: 2-benzamido-4-oxo-4-[8-[1-oxo-3-(3-thiophenyl)prop-2-enyl]-3,8-diazaspiro[4.5]decan-3-yl]butanoic acid methyl ester IUPAC Name: methyl 2-benzamido-4-oxo-4-[8-(3-thiophen-3-ylprop-2-enoyl)-3,8-diazaspiro[4.5]decan-3-yl]butanoate Traditional Name: 2-benzamido-4-keto-4-[8-[3-(3-thienyl)acryloyl]-3,8-diazaspiro[4.5]decan-3-yl]butyric acid methyl ester Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)C(=O)C=CC3=CSC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)C(=O)C=CC3=CSC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S/c1-35-26(34)22(28-25(33)21-5-3-2-4-6-21)17-24(32)30-15-12-27(19-30)10-13-29(14-11-27)23(31)8-7-20-9-16-36-18-20/h2-9,16,18,22H,10-15,17,19H2,1H3,(H,28,33)