2-[3-(4-chlorophenyl)sulfanyl-4-(ethylcarbamoylamino)-2-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(ethylcarbamoylamino)-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(ethylcarbamoylamino)-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-4-(ethylcarbamoylamino)-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(ethylcarbamoylamino)-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-4-(ethylcarbamoylamino)-2-methyl-indol-1-yl]acetic acid Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC=CC2=C1C(=C(N2CC(=O)O)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCNC(=O)NC1=CC=CC2=C1C(=C(N2CC(=O)O)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-3-22-20(27)23-15-5-4-6-16-18(15)19(12(2)24(16)11-17(25)26)28-14-9-7-13(21)8-10-14/h4-10H,3,11H2,1-2H3,(H,25,26)(H2,22,23,27)