methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O4S2/c1-12-7-8-13-16(11-12)29-19(18(13)20(25)26-2)23-17(24)9-10-28-21-22-14-5-3-4-6-15(14)27-21/h3-6,12H,7-11H2,1-2H3,(H,23,24)