methyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO5S/c1-13-4-5-14(20(23)24-2)10-16(13)21-19(22)12-27-15-6-7-17-18(11-15)26-9-3-8-25-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22)