2-[3-[(3-methyl-2-sulfanylidene-pentanoyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-methyl-2-sulfanylidene-pentanoyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[(3-methyl-2-thioxo-pentanoyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(3-methyl-1-oxo-2-sulfanylidenepentyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(3-methyl-2-sulfanylidenepentanoyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[4-keto-3-[(3-methyl-2-thioxo-pentanoyl)amino]-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=S)C(=O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCC(C)C(=S)C(=O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C17H20N2O4S2/c1-3-10(2)15(24)16(22)18-11-9-25-13-7-5-4-6-12(13)19(17(11)23)8-14(20)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,22)(H,20,21)