2-[[3-[4-azanylidene-2-(methylsulfanylmethyl)cyclohexa-2,5-dien-1-yl]-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: 2-[[3-[4-azanylidene-2-(methylsulfanylmethyl)cyclohexa-2,5-dien-1-yl]-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: 2-[[3-[4-imino-2-(methylsulfanylmethyl)cyclohexa-2,5-dien-1-yl]-2-oxo-oxazolidine-5-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[3-[4-imino-2-[(methylthio)methyl]-1-cyclohexa-2,5-dienyl]-2-oxo-5-oxazolidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[3-[4-imino-2-(methylsulfanylmethyl)cyclohexa-2,5-dien-1-yl]-2-oxo-1,3-oxazolidine-5-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-[4-imino-2-[(methylthio)methyl]cyclohexa-2,5-dien-1-yl]-2-keto-oxazolidine-5-carbonyl]amino]-3-phenyl-propionate Formula: C21H22N3O5S- MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC(=N)C=CC1N2CC(OC2=O)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CSCC1=CC(=N)C=CC1N2CC(OC2=O)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c1-30-12-14-10-15(22)7-8-17(14)24-11-18(29-21(24)28)19(25)23-16(20(26)27)9-13-5-3-2-4-6-13/h2-8,10,16-18,22H,9,11-12H2,1H3,(H,23,25)(H,26,27)/p-1