4-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-methyl-benzoic acid Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C18H17NO3S2/c1-11-10-14(17(21)22)6-7-15(11)19-16(20)12-2-4-13(5-3-12)18-23-8-9-24-18/h2-7,10,18H,8-9H2,1H3,(H,19,20)(H,21,22)